SCHEMBL3787175

SCHEMBL3787175

COc1ccc(CNC(=O)c2ccc3nn(CCC#N)c(=O)n3c2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.57
PPARG P37231 8/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13258587 0.89 EPHX2 (0.60) EPHX2PPARG
SCHEMBL3805799 0.87 DDR1 (0.41) EPHX2PPARG
SCHEMBL3788283 0.79 EPHX2 (0.49) EPHX2
SCHEMBL13257875 0.79 EPHX2 (0.38) EPHX2
SCHEMBL3798917 0.79 EPHX2 (0.39) EPHX2
SCHEMBL3788290 0.78 EPHX2 (0.46) EPHX2
SCHEMBL3788746 0.75 EPHX2 (0.45) EPHX2
SCHEMBL20589559 0.75 EPHX2 (1.00) EPHX2PPARG
SCHEMBL3788876 0.74 RIPK1 (0.38) EPHX2
SCHEMBL3794448 0.74 EPHX2 (0.44) EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed